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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL314470
CHEMBL314470
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H10Cl2N2

Additional synonyms for CHEMBL314470 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2
Standard InChI InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14 ...
Download InChI
Standard InChI Key HUWXDEQWWKGHRV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL314470

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
253.1 252.0221 3.18 1 52.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.2 6.64 4.24 4.16 2 16 0.77

Structural Alerts

There are 4 structural alerts for CHEMBL314470. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HUWXDEQWWKGHRV-UHFFFAOYSA-N
PubChem SID: 144209422
Wikipedia 3,3%27-Dichlorobenzidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL314470



ACToR 91-94-1 86349-58-8
ChEBI 82315
eMolecules 31239152
EPA CompTox Dashboard DTXSID6020432
FDA SRS 1SDI2328UX
IBM Patent System 00A13BDA4AAFCC6673CAD4EB5778C076
KEGG Ligand C19225
Mcule MCULE-4500783353
MolPort MolPort-003-941-217
Nikkaji J3.926H
NMRShiftDB 20200830
PubChem 7070
PubChem: Thomson Pharma 14798715
SureChEMBL SCHEMBL49382
ZINC ZINC00057298

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HUWXDEQWWKGHRV-UHFFFAOYSA-N spacer
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